N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0959 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 403.82 |
| Molecular Formula: | C18 H18 Cl N5 O4 |
| Smiles: | CC(C)c1c(c(C(Nc2cc(C)n(Cc3ccc(cc3)[Cl])n2)=O)no1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9606 |
| logD: | 2.5784 |
| logSw: | -4.3756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.416 |
| InChI Key: | YWGLWNNIBRDKAW-UHFFFAOYSA-N |